| Properties | Image |
|---|
| MNX_ID | MNXM58833 |
 |
| reference | metacycM:CPD-15023 |
| formula | C33H40O20 |
| global charge | 0 |
| mol weight | 756.663 |
| InChIKey | VRYWDBDPXMHHGE-IAYTZLMWSA-N |
| InChI | InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)48-13-6-14(37)18-15(7-13)49-28(11-2-4-12(36)5-3-11)29(22(18)41)52-33-30(25(44)21(40)17(9-35)51-33)53-32-27(46)24(43)20(39)16(8-34)50-32/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:19]([OH:38])[C@@H:23]([OH:42])[C@@H:26]([OH:45])[C@H:31]([O:48][C:13]2=[CH:6][C:14]([OH:37])=[C:18]3[C:15](=[CH:7]2)[O:49][C:28]([C:11]2=[CH:3][CH:5]=[C:12]([OH:36])[CH:4]=[CH:2]2)=[C:29]([O:52][C@H:33]2[C@H:30]([O:53][C@H:32]4[C@H:27]([OH:46])[C@@H:24]([OH:43])[C@H:20]([OH:39])[C@@H:16]([CH2:8][OH:34])[O:50]4)[C@@H:25]([OH:44])[C@H:21]([OH:40])[C@@H:17]([CH2:9][OH:35])[O:51]2)[C:22]3=[O:41])[O:47]1 |
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